SCHEMBL22204656

SCHEMBL22204656

C=C(C)C(=O)OCC(COC(=O)O)OC(=O)C(=C)C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
THRB P10828 1/20 0.39
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
PRKCA P17252 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6061263 0.93 TSHR (0.55) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL35507 0.92 TSHR (0.63) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL16803284 0.88 TSHR (0.63) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL289553 0.87 TSHR (0.44) TSHRPRKCA
SCHEMBL6914911 0.87 TSHR (0.57) TSHRTHRBALDH1A1TDP1LMNA
SCHEMBL5693403 0.85 TSHR (0.55) TSHRTHRBALDH1A1LMNAPRKCA
SCHEMBL12808955 0.85 TSHR (0.55) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL12709032 0.84 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1517252 0.83 TSHR (0.57) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL158386 0.83 TSHR (0.57) TSHRTHRBALDH1A1POLBAPEX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911691-A1 HYDROXYURETHANE (METH)ACRYLATE PREPOLYMERS FOR USE IN 3D PRINTING BASF SE (DE) 2021-11-24 EP disclosed
WO-2020148190-A1 HYDROXYURETHANE (METH)ACRYLATE PREPOLYMERS FOR USE IN 3D PRINTING BASF SE (DE) 2020-07-23 WO disclosed
EP-3680274-A1 HYDROXYURETHANE (METH)ACRYLATE PREPOLYMERS FOR USE IN 3D PRINTING BASF SE (DE) 2020-07-15 EP disclosed